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Merck
CN

282618

2,2,4,4-Tetramethyl-3-pentanone

98%

Synonym(s):

Di-tert-butyl ketone, Hexamethylacetone, Pivalone

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About This Item

Linear Formula:
(CH3)3CCOC(CH3)3
CAS Number:
815-24-7
Molecular Weight:
142.24
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24857056
EC Number:
212-419-8
Beilstein/REAXYS Number:
1701122
MDL number:
MFCD00008845

Key Documents

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Product Name

2,2,4,4-Tetramethyl-3-pentanone, 98%

InChI key

UIQGEWJEWJMQSL-UHFFFAOYSA-N

InChI

1S/C9H18O/c1-8(2,3)7(10)9(4,5)6/h1-6H3

SMILES string

CC(C)(C)C(=O)C(C)(C)C

assay

98%

form

liquid

refractive index

n20/D 1.419 (lit.)

bp

152-153 °C (lit.)

density

0.824 g/mL at 25 °C (lit.)

functional group

ketone

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General description

The Microtox EC50 values for 2,2,4,4-tetramethyl-3-pentanone has been reported. The kinetics, stoichiometry and products of the reduction reaction of 2,2,4,4-tetramethyl-3-pentanone using lithium triethylborohydride under standard conditions (tetrahydrofuran, 0°C) has been examined.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

93.2 °F - closed cup

flash_point_c

34 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBZ5150
BCBM6234V
BCBH8801V
BCBD9401V
BCBB2177

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Selective reductions. 26. Lithium triethylborohydride as an exceptionally powerful and selective reducing agent in organic synthesis. Exploration of the reactions with selected organic compounds containing representative functional groups.
Brown HC, et al.
The Journal of Organic Chemistry, 45(1), 1-12 (1980)
H F Chen et al.
Ecotoxicology and environmental safety, 30(2), 120-123 (1995-03-01)
The Microtox EC50 values for the following ketones are reported in the following homologous series: straight chain methyl ketones (acetone, 2-butanone, 2-pentanone, 2-hepatonone, 2-octanone, 2-decanone, and 2-tridecanone); methyl ketones substituted at one alpha carbon (3-methyl-2-butanone; 3,3-dimethyl-2-butanone); methyl substituted at two
Michael C De Siena et al.
Nano letters, 20(3), 2100-2106 (2020-02-08)
We have synthesized unique colloidal nanoplatelets of the two-dimensional (2D) van der Waals ferromagnet CrI3 and have characterized these nanoplatelets structurally, magnetically, and by magnetic circular dichroism spectroscopy. The CrI3 nanoplatelets have lateral dimensions of ∼25 nm and thicknesses of

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